[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride

C14H21Cl2FN2 — CID 119915680

IUPAC[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(c1ccc(F)c(Cl)c1)N1CCCC(CN)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10(12-4-5-14(16)13(15)7-12)18-6-2-3-11(8-17)9-18;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H
InChIKeySZMQJCRNWHIXHT-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.63
Rot. Bonds3

About [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride

[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915680) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915680
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(c1ccc(F)c(Cl)c1)N1CCCC(CN)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10(12-4-5-14(16)13(15)7-12)18-6-2-3-11(8-17)9-18;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H
InChIKeySZMQJCRNWHIXHT-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60979360
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 113320017
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 55989238

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915680) is [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride is CC(c1ccc(F)c(Cl)c1)N1CCCC(CN)C1.Cl.
What is the InChIKey of [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is SZMQJCRNWHIXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-10(12-4-5-14(16)13(15)7-12)18-6-2-3-11(8-17)9-18;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H.
What are the key properties of [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).